SCHEMBL4881254

SCHEMBL4881254

CC(C#N)OP(OCc1ccccc1)N(C(C)C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.34
CTSL P07711 5/20 0.33
CTSS P25774 5/20 0.33
CTSB P07858 4/20 0.33
CTSK P43235 4/20 0.33
SGMS2 Q8NHU3 5/20 0.32
ALDH1A1 P00352 4/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Acetonitrile SCHEMBL27856444 0.85 MAOB (0.37) MAOBCTSLCTSSCTSBCTSK
SCHEMBL80897 0.83 TSHR (0.41) ALDH1A1LMNATSHRKMT2A
SCHEMBL4881259 0.79 MAOB (0.36) MAOBCTSLCTSSCTSBCTSK
SCHEMBL25408699 0.75
SCHEMBL4782196 0.74 MAOB (0.43) MAOBCTSLCTSSCTSBCTSK
SCHEMBL4730931 0.74 MAOB (0.43) MAOBCTSLCTSSCTSBCTSK
SCHEMBL887785 0.74 TSHR (0.30) TSHR
SCHEMBL2252915 0.73 TSHR (0.41) ALDH1A1LMNATSHRKMT2A
SCHEMBL12380718 0.72 FFAR1 (0.35) CTSLCTSBCTSKALDH1A1LMNA
SCHEMBL5831072 0.72 CA1 (0.33) ALDH1A1LMNATSHRKDM4EKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261923-A1 Alkene Mimics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-10-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080261923-A1 Alkene Mimics PHOSPHO1, PARN, CHAMP1 MAOB 4172/4885CTSL 664/4885CTSS 2059/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.